Information card for entry 2224374

Structure parameters

• Chemical name: Tetrakis(μ~2~-phenylacetato-κ^2^<i>O</i>:<i>O</i>')bis[(isoquinoline- κ<i>N</i>)copper(II)]
• Formula: C50 H42 Cu2 N2 O8
• Calculated formula: C50 H42 Cu2 N2 O8
• SMILES: C1(Cc2ccccc2)=[O][Cu]234([n]5cc6c(cc5)cccc6)[O]=C(O[Cu]2(O1)([n]1cc2ccccc2cc1)([O]=C(Cc1ccccc1)O3)[O]=C(O4)Cc1ccccc1)Cc1ccccc1
• Title of publication: Tetrakis(μ~2~-phenylacetato-κ^2^<i>O</i>:<i>O</i>')bis[(isoquinoline-κ<i>N</i>)copper(II)]
• Authors of publication: Li, Meng-Jiao; Nie, Jing-Jing; Xu, Duan-Jun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: m1613
• a: 8.2425 ± 0.0015 Å
• b: 11.251 ± 0.002 Å
• c: 12.121 ± 0.002 Å
• α: 94.594 ± 0.002°
• β: 90.178 ± 0.002°
• γ: 104.803 ± 0.004°
• Cell volume: 1082.9 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0375
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections included in the refinement: 0.0883
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes